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Supermoiré Reconstruction and Topological Mosaics in Twisted Trilayer WSe$_2$ and MoTe$_2$

Hai Meng, Xu, Yang and Fengcheng Wu

Published
Source
OpenAlex
DOI
10.48550/arxiv.2608.30813
Original
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Topics
Materials ScienceAtomic PhysicsOptics

Abstract

We investigate lattice relaxation and band structures of helical and alternating twisted trilayer WSe$_2$ and MoTe$_2$ using machine-learning force fields and large-scale ab initio calculations. Interference between the two bilayer moiré lattices generates a supermoiré lattice that, upon relaxation, reconstructs into a few dominant domain types with locally commensurate bilayer moiré lattices. Because the systems lack $C_{2z}$ symmetry, domains otherwise related by this symmetry become energetically and topologically distinct, unlike in twisted trilayer graphene. Band structure calculations show that the topmost valence bands originate from the $K$ ($K'$) valleys and carry domain-dependent valley Chern numbers. The resulting supermoiré lattice hosts a mosaic of topologically inequivalent domains, offering a platform for exploring correlated and topological physics.

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